tert-butyl 4-[[6-methoxy-5,7-bis(oxidanyl)-4-oxidanylidene-2-phenyl-chromen-8-yl]methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[6-methoxy-5,7-bis(oxidanyl)-4-oxidanylidene-2-phenyl-chromen-8-yl]methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(5,7-dihydroxy-6-methoxy-4-oxo-2-phenyl-chromen-8-yl)methyl]piperazine-1-carboxylate CAS Name: 4-[(5,7-dihydroxy-6-methoxy-4-oxo-2-phenyl-1-benzopyran-8-yl)methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(5,7-dihydroxy-6-methoxy-4-oxo-2-phenylchromen-8-yl)methyl]piperazine-1-carboxylate Traditional Name: 4-[(5,7-dihydroxy-4-keto-6-methoxy-2-phenyl-chromen-8-yl)methyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C26H30N2O7 MolecularWeight: 482.5256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CC2=C(C(=C(C3=C2OC(=CC3=O)C4=CC=CC=C4)O)OC)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC2=C(C(=C(C3=C2OC(=CC3=O)C4=CC=CC=C4)O)OC)O

InChI

InChI=1S/C26H30N2O7/c1-26(2,3)35-25(32)28-12-10-27(11-13-28)15-17-21(30)24(33-4)22(31)20-18(29)14-19(34-23(17)20)16-8-6-5-7-9-16/h5-9,14,30-31H,10-13,15H2,1-4H3